Project name: 6a090d031956618

Chain sequence(s)	A: MAKCSYVFCAVLLIFIVAIGEMEAAGSKLCEKTSKTYSGKCDNKKCDKKCIEWEKAQHGACHKREAGKESCFCYFDCSKSPPGATPAPPGAAPPPAAGGSPSPPADGGSPPPPADGGSPPVDGGSPPPPSTH
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -4.0363
• Maximal score value: 6.1636
• Average score: -0.5589
• Total score value: -73.7733

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	M	A	0.7362
2	A	A	0.4002
3	K	A	0.0025
4	C	A	1.6367
5	S	A	1.7733
6	Y	A	2.8326
7	V	A	3.9075
8	F	A	4.4498
9	C	A	4.1322
10	A	A	4.2726
11	V	A	5.3157
12	L	A	5.4826
13	L	A	5.9590
14	I	A	6.1636
15	F	A	6.1413
16	I	A	5.7297
17	V	A	4.9101
18	A	A	3.5518
19	I	A	3.4915
20	G	A	1.1951
21	E	A	-0.8152
22	M	A	-0.0570
23	E	A	-1.7173
24	A	A	-1.1816
25	A	A	-0.9321
26	G	A	-0.9248
27	S	A	-0.9245
28	K	A	-1.4624
29	L	A	-0.4676
30	C	A	-0.9973
31	E	A	-1.7038
32	K	A	-1.3592
33	T	A	-1.0418
34	S	A	-1.1100
35	K	A	-1.7009
36	T	A	-0.6927
37	Y	A	-1.0625
38	S	A	-0.9987
39	G	A	-1.5861
40	K	A	-2.8715
41	C	A	-2.8844
42	D	A	-3.2571
43	N	A	-3.6011
44	K	A	-4.0292
45	K	A	-3.9458
46	C	A	0.0000
47	D	A	-3.1259
48	K	A	-3.6137
49	K	A	-2.1958
50	C	A	0.0000
51	I	A	-1.3842
52	E	A	-1.7393
53	W	A	-0.3995
54	E	A	-1.3226
55	K	A	-2.0083
56	A	A	0.0000
57	Q	A	-1.8503
58	H	A	-2.1514
59	G	A	0.0000
60	A	A	-1.7893
61	C	A	-2.2960
62	H	A	-2.5222
63	K	A	-4.0363
64	R	A	-3.9266
65	E	A	-3.4482
66	A	A	-2.4779
67	G	A	-2.9727
68	K	A	-3.9537
69	E	A	-3.9607
70	S	A	-2.6009
71	C	A	0.0000
72	F	A	0.0000
73	C	A	0.0000
74	Y	A	-1.1024
75	F	A	0.0000
76	D	A	-1.4543
77	C	A	-1.0867
78	S	A	-1.3113
79	K	A	-1.8134
80	S	A	-1.2231
81	P	A	-0.9665
82	P	A	-1.1196
83	G	A	-0.7395
84	A	A	-0.4350
85	T	A	-0.4737
86	P	A	-0.6228
87	A	A	-0.3241
88	P	A	-0.3730
89	P	A	-0.4048
90	G	A	-0.6428
91	A	A	-0.3811
92	A	A	-0.3175
93	P	A	-0.4493
94	P	A	-0.4547
95	P	A	-0.4604
96	A	A	-0.3703
97	A	A	-0.5698
98	G	A	-0.7676
99	G	A	-0.8835
100	S	A	-0.7579
101	P	A	-0.7540
102	S	A	-0.6507
103	P	A	-0.8364
104	P	A	-1.0425
105	A	A	-1.2700
106	D	A	-2.2650
107	G	A	-1.6895
108	G	A	-1.3957
109	S	A	-1.0749
110	P	A	-0.7833
111	P	A	-0.6789
112	P	A	-0.8725
113	P	A	-1.0370
114	A	A	-1.2450
115	D	A	-2.2493
116	G	A	-1.6724
117	G	A	-1.3416
118	S	A	-0.6793
119	P	A	-0.4288
120	P	A	-0.2069
121	V	A	0.4687
122	D	A	-1.3611
123	G	A	-1.1021
124	G	A	-1.0599
125	S	A	-0.7557
126	P	A	-0.6603
127	P	A	-0.6911
128	P	A	-0.6455
129	P	A	-0.6972
130	S	A	-0.7188
131	T	A	-0.7494
132	H	A	-1.1060